2RQ8
Solution NMR structure of titin I27 domain mutant
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 1.0mM TITIN I27 mutant, 50mM potassium phosphate buffer | 99.9% D2O | 50mM POTASSIUM PHOSPHATE | 7.4 | 1 atm | 298 | |
| 2 | 3D 1H-15N NOESY | 1.0mM [U-15N] TITIN I27 mutant, 50mM potassium phosphate buffer | 90% H2O/10% D2O | 50mM POTASSIUM PHOSPHATE | 7.4 | 1 atm | 298 | |
| 3 | 3D 1H-13C NOESY | 1.0mM [U-13C; U-15N] TITIN I27 mutant, 50mM potassium phosphate buffer | 99.9% D2O | 50mM POTASSIUM PHOSPHATE | 7.4 | 1 atm | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CYANA | 2.1 | P.GUNTERT ET AL. |
